5-pentyl-2-phenoxyphenol

C17H20O2 — CID 5274976

IUPAC5-pentyl-2-phenoxyphenol
SMILESCCCCCc1ccc(Oc2ccccc2)c(O)c1
InChIInChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3
InChIKeyOJLYTHOKCYLPMA-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.92
Rot. Bonds6

About 5-pentyl-2-phenoxyphenol

5-pentyl-2-phenoxyphenol (PubChem CID 5274976) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 5-pentyl-2-phenoxyphenol.

Molecular Properties

Compound Name5-pentyl-2-phenoxyphenol
PubChem CID5274976
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name5-pentyl-2-phenoxyphenol
SMILESCCCCCc1ccc(Oc2ccccc2)c(O)c1
InChIInChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3
InChIKeyOJLYTHOKCYLPMA-UHFFFAOYSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-phenoxyphenol?
The IUPAC name of 5-pentyl-2-phenoxyphenol (CID 5274976) is 5-pentyl-2-phenoxyphenol.
What is the SMILES notation for 5-pentyl-2-phenoxyphenol?
The canonical SMILES for 5-pentyl-2-phenoxyphenol is CCCCCc1ccc(Oc2ccccc2)c(O)c1.
What is the InChIKey of 5-pentyl-2-phenoxyphenol?
The InChIKey is OJLYTHOKCYLPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3.
What are the key properties of 5-pentyl-2-phenoxyphenol?
5-pentyl-2-phenoxyphenol has a molecular weight of 256.34 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-phenoxyphenol is sourced from PubChem (CID 5274976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).